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Chemical ID: 4044765
Chemical ID:
4044765
Name [?]:
4-(1,1-dimethylpropyl)-N-(6-ethyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
CCc1cccc(n1)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC
InChi [?]:
InChI=1/C18H24N2O2S/c1-5-15-8-7-9-17(19-15)20-23(21,22)16-12-10-14(11-13-16)18(3,4)6-2/h7-13H,5-6H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,20,21,2,22,5,4,6,15,17,14,18,16,3,13,7,19,8,9,11,12,10/E:(3,4)(10,11)(12,13)(21,22)/CRV:23.6/rA:23nCCCCCCCNNSOOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.389 |
Area: | 516.847 |
Solvation: | -2.53214 |
Coulombic: | -18.8389 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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